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. Author manuscript; available in PMC: 2021 Dec 28.
Published in final edited form as: J Chem Inf Model. 2020 Sep 30;60(12):5667–5681. doi: 10.1021/acs.jcim.0c00593

Table 3.

Comparison of RosettaDesign and RosettaDesign + gcWGAN Using gcWGAN Sequences (to Initialize Search) and Profiles (to Reduce Design Space)

RosettaDesign RosettaDesign + gcWGAN
Prob. cutoff Design space reduction # Success Best TM Identity # Success Best TM Identity
1 (All) – 7 0.53 0.16 14 0.49 0.15
0.99 1.81 × 104 7 0.42 0.17 11 0.46 0.09
0.95 1.12 × 1012 4 0.37 0.19 13 0.47 0.16
0.9 9.77 × 1018 5 0.49 0.14 9 0.50 0.12
0.5 1.04 × 1076 0 - - 6 0.45 0.16